3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide

C15H19NO3S — CID 70781094

IUPAC3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide
SMILESCCc1nc2cc(CCC3CCS(=O)(=O)C3)ccc2o1
InChIInChI=1S/C15H19NO3S/c1-2-15-16-13-9-11(5-6-14(13)19-15)3-4-12-7-8-20(17,18)10-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyKZDBISWNZJIIOV-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.76
Rot. Bonds4

About 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide

3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide (PubChem CID 70781094) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide
PubChem CID70781094
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide
SMILESCCc1nc2cc(CCC3CCS(=O)(=O)C3)ccc2o1
InChIInChI=1S/C15H19NO3S/c1-2-15-16-13-9-11(5-6-14(13)19-15)3-4-12-7-8-20(17,18)10-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyKZDBISWNZJIIOV-UHFFFAOYSA-N
XLogP2.76
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
CID 6986797
1-[3-[2-(1,1-dioxothiolan-3-yl)ethyl]phenyl]propan-1-one
CID 70710991
1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one
CID 86283567
1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357650
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 79017178
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364
N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
CID 82230271
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
2-ethyl-1,3-benzoxazole
CID 23239
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
2-ethyl-5-methylsulfanyl-1,3-benzoxazole
CID 131029020
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide (CID 70781094) is 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide is CCc1nc2cc(CCC3CCS(=O)(=O)C3)ccc2o1.
What is the InChIKey of 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide?
The InChIKey is KZDBISWNZJIIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-2-15-16-13-9-11(5-6-14(13)19-15)3-4-12-7-8-20(17,18)10-12/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide?
3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide has a molecular weight of 293.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 70781094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).